2-[(2,5-dimethylpyrazol-3-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(2,5-dimethylpyrazol-3-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(2,5-dimethylpyrazol-3-yl)methylsulfanyl]acetic acid CAS Name: 2-[(2,5-dimethyl-3-pyrazolyl)methylthio]acetic acid IUPAC Name: 2-[(2,5-dimethylpyrazol-3-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(2,5-dimethylpyrazol-3-yl)methylthio]acetic acid Formula: C8H12N2O2S MolecularWeight: 200.25808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CSCC(=O)O)C

Isomeric SMILES

CC1=NN(C(=C1)CSCC(=O)O)C

InChI

InChI=1S/C8H12N2O2S/c1-6-3-7(10(2)9-6)4-13-5-8(11)12/h3H,4-5H2,1-2H3,(H,11,12)